1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole

C17H13Cl2N3 — CID 155523438

IUPAC1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole
SMILESClc1ccc(/C=C(/Cn2ccnn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13Cl2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11-
InChIKeyWFOVOZCQPARZGI-PTNGSMBKSA-N
MW330.22 g/mol
LogP4.83
Rot. Bonds4

About 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole

1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole (PubChem CID 155523438) has the molecular formula C17H13Cl2N3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole.

Molecular Properties

Compound Name1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole
PubChem CID155523438
Molecular FormulaC17H13Cl2N3
Molecular Weight330.22 g/mol
Exact Mass329.05
IUPAC Name1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole
SMILESClc1ccc(/C=C(/Cn2ccnn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13Cl2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11-
InChIKeyWFOVOZCQPARZGI-PTNGSMBKSA-N
XLogP4.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole?
The IUPAC name of 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole (CID 155523438) is 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole.
What is the SMILES notation for 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole?
The canonical SMILES for 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole is Clc1ccc(/C=C(/Cn2ccnn2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole?
The InChIKey is WFOVOZCQPARZGI-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H13Cl2N3/c18-16-5-1-13(2-6-16)11-15(12-22-10-9-20-21-22)14-3-7-17(19)8-4-14/h1-11H,12H2/b15-11-.
What are the key properties of 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole?
1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole has a molecular weight of 330.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-bis(4-chlorophenyl)prop-2-enyl]triazole is sourced from PubChem (CID 155523438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).